cycloheptyl (4S,5R)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cycloheptyl (4S,5R)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl (4S,5R)-4-(3-methoxy-4-propoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-methoxy-4-propoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S,5R)-4-(3-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-2-keto-4-(3-methoxy-4-propoxy-phenyl)-6-methylene-hexahydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCCC3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC3CCCCCC3)OC

InChI

InChI=1S/C23H32N2O5/c1-4-13-29-18-12-11-16(14-19(18)28-3)21-20(15(2)24-23(27)25-21)22(26)30-17-9-7-5-6-8-10-17/h11-12,14,17,20-21H,2,4-10,13H2,1,3H3,(H2,24,25,27)/t20-,21+/m0/s1